EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID4066705

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID4066705


InChI Key	CJHLBUPFEOHCOQ-UHFFFAOYSA-N
Smiles	NCCNCCNCCNCCNC(=O)NCCNCCNCCNCCN
InChI	InChI=1S/C17H44N10O/c18-1-3-20-5-7-22-9-11-24-13-15-26-17(28)27-16-14-25-12-10-23-8-6-21-4-2-19/h20-25H,1-16,18-19H2,(H2,26,27,28)

InChI Key

CJHLBUPFEOHCOQ-UHFFFAOYSA-N

Smiles

NCCNCCNCCNCCNC(=O)NCCNCCNCCNCCN

InChI

InChI=1S/C17H44N10O/c18-1-3-20-5-7-22-9-11-24-13-15-26-17(28)27-16-14-25-12-10-23-8-6-21-4-2-19/h20-25H,1-16,18-19H2,(H2,26,27,28)

Property Name	Value
Molecular Formula	C17H44N10O1
Molecular Weight	404.37
AlogP	-4.06
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	10.0
Number of Rotational Bond	22.0
Polar Surface Area	168.84
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C17H44N10O1

Molecular Weight

404.37

AlogP

-4.06

Hydrogen Bond Acceptor

9.0

Hydrogen Bond Donor

10.0

Number of Rotational Bond

22.0

Polar Surface Area

168.84

Heavy Atoms

28.0

Resources	Reference
CAS NUMBER	21509-92-2
NORMAN SUSDAT
PubChem	88930
ChemSpider	80088.0

Resources

Reference

CAS NUMBER

21509-92-2

NORMAN SUSDAT

PubChem

88930

ChemSpider

80088.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

2,5,8,11-TETRAAZATRIDECANAMIDE, 13-AMINO-N-[2-[[2-[[2-[(2-AMINOETHYL)AMINO]ETHYL]AMINO]ETHYL]AMINO]ETHYL]-

Structure

Physicochemical Descriptors

Cross References